1-(4-fluorophenyl)pentane-2,4-dione

C11H11FO2 — CID 57447744

IUPAC1-(4-fluorophenyl)pentane-2,4-dione
SMILESCC(=O)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-8(13)6-11(14)7-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3
InChIKeyRWBLCCVJWXXBOW-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-fluorophenyl)pentane-2,4-dione

1-(4-fluorophenyl)pentane-2,4-dione (PubChem CID 57447744) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pentane-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)pentane-2,4-dione
PubChem CID57447744
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name1-(4-fluorophenyl)pentane-2,4-dione
SMILESCC(=O)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-8(13)6-11(14)7-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3
InChIKeyRWBLCCVJWXXBOW-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
CID 64565924
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556389
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
1-(4-fluorophenyl)pent-4-en-2-one
CID 61380162
1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pentane-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)pentane-2,4-dione (CID 57447744) is 1-(4-fluorophenyl)pentane-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)pentane-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)pentane-2,4-dione is CC(=O)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)pentane-2,4-dione?
The InChIKey is RWBLCCVJWXXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-8(13)6-11(14)7-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)pentane-2,4-dione?
1-(4-fluorophenyl)pentane-2,4-dione has a molecular weight of 194.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pentane-2,4-dione is sourced from PubChem (CID 57447744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).